1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

C44H60N16O3S3 — CID 161294783

IUPAC1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCc1ccn[nH]1.Cc1ccn[nH]1.Cc1cn[nH]c1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.Cn1cccn1.Cn1ccnc1
InChIInChI=1S/5C4H6N2.3C4H5NO.3C4H5NS/c1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;2*1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6);2*2-4H,1H3;2*2-3H,1H3,(H,5,6);6*2-3H,1H3
InChIKeyVGVFLWBQBKRWQU-UHFFFAOYSA-N
MW957.27 g/mol
LogP10.30
Rot. Bonds

About 1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (PubChem CID 161294783) has the molecular formula C44H60N16O3S3 and a molecular weight of 957.27 g/mol. Its IUPAC name is 1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

Compound Name1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
PubChem CID161294783
Molecular FormulaC44H60N16O3S3
Molecular Weight957.27 g/mol
Exact Mass956.42
IUPAC Name1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCc1ccn[nH]1.Cc1ccn[nH]1.Cc1cn[nH]c1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.Cn1cccn1.Cn1ccnc1
InChIInChI=1S/5C4H6N2.3C4H5NO.3C4H5NS/c1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;2*1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6);2*2-4H,1H3;2*2-3H,1H3,(H,5,6);6*2-3H,1H3
InChIKeyVGVFLWBQBKRWQU-UHFFFAOYSA-N
XLogP10.30
TPSA238.44 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500957.27
LogP ≤ 510.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole with MolForge

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Related Compounds

ethane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157157509
ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157256333
1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;3-methyl-1,2,4-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole
CID 157470951
ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole
CID 157476081
Bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)
CID 157730924
ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 158161833
4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole
CID 158383278
ethane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158527239
ethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole
CID 158552407
1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium
CID 158575231
5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole
CID 158674969
ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158711383

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The IUPAC name of 1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (CID 161294783) is 1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.
What is the SMILES notation for 1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The canonical SMILES for 1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is Cc1ccn[nH]1.Cc1ccn[nH]1.Cc1cn[nH]c1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.Cn1cccn1.Cn1ccnc1.
What is the InChIKey of 1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The InChIKey is VGVFLWBQBKRWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/5C4H6N2.3C4H5NO.3C4H5NS/c1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;2*1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6);2*2-4H,1H3;2*2-3H,1H3,(H,5,6);6*2-3H,1H3.
What are the key properties of 1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole has a molecular weight of 957.27 g/mol, XLogP of 10.30, 0 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 161294783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).